Vitas-M small molecule compound

3,6,6-trimethyl-1-[(4-methylphenyl)sulfonyl]-1,5,6,7-tetrahydro-4H-indazol-4-one

Catalog ID
STK329750
SMILES Cc1ccc(cc1)S(=O)(=O)n1nc(c2c1CC(C)(C)CC2=O)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C17H20N2O3S MW 332.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N2O3S/c1-11-5-7-13(8-6-11)23(21,22)19-14-9-17(3,4)10-15(20)16(14)12(2)18-19/h5-8H,9-10H2,1-4H3
InChIKey
VCFNLUGTSSERAJ-UHFFFAOYSA-N
Synonyms
932999-76-3
366trimethyl1((4methylphenyl)sulfonyl)1567tetrahydro4Hindazol4one
366trimethyl1(4methylphenyl)sulfonyl57dihydroindazol4one
932999763
CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C(=N2)C)C(=O)CC(C3)(C)C
InChI=1SC17H20N2O3Sc1115713(8611)23(2122)1914917(34)1015(20)16(14)12(2)1819h58H910H214H3
MFCD09962040
ZINC000012346339
ZINC12346339

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Available files

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